6-amino-1,4-oxazepan-5-one

C5H10N2O2 — CID 77385508

IUPAC6-amino-1,4-oxazepan-5-one
SMILESNC1COCCNC1=O
InChIInChI=1S/C5H10N2O2/c6-4-3-9-2-1-7-5(4)8/h4H,1-3,6H2,(H,7,8)
InChIKeyWRUMOCUMNFEQKU-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.54
Rot. Bonds

About 6-amino-1,4-oxazepan-5-one

6-amino-1,4-oxazepan-5-one (PubChem CID 77385508) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 6-amino-1,4-oxazepan-5-one.

Molecular Properties

Compound Name6-amino-1,4-oxazepan-5-one
PubChem CID77385508
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name6-amino-1,4-oxazepan-5-one
SMILESNC1COCCNC1=O
InChIInChI=1S/C5H10N2O2/c6-4-3-9-2-1-7-5(4)8/h4H,1-3,6H2,(H,7,8)
InChIKeyWRUMOCUMNFEQKU-UHFFFAOYSA-N
XLogP-1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Oxazepan-5-one
CID 7023020
3-Methyl-1,4-oxazepan-5-one
CID 55298771
6-Amino-1,4-oxazepan-5-one hydrochloride
CID 138110841
2-Acetamido-3-methoxypropanamide
CID 54533530
(2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide
CID 88914306
2-acetamido-N-(fluoromethyl)-3-methoxypropanamide
CID 123985166
6-Amino-1,4-oxazepane-3,5-dione
CID 91466708
6-(Methylamino)-4-propyl-1,4-oxazepan-5-one
CID 20590196
2-acetamido-3-methoxy-N-methylpropanamide
CID 20740900
6-(Methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one
CID 22984942
4-[2-(Dimethylamino)ethyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 22984981
4-(2-Methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22984987

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,4-oxazepan-5-one?
The IUPAC name of 6-amino-1,4-oxazepan-5-one (CID 77385508) is 6-amino-1,4-oxazepan-5-one.
What is the SMILES notation for 6-amino-1,4-oxazepan-5-one?
The canonical SMILES for 6-amino-1,4-oxazepan-5-one is NC1COCCNC1=O.
What is the InChIKey of 6-amino-1,4-oxazepan-5-one?
The InChIKey is WRUMOCUMNFEQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-4-3-9-2-1-7-5(4)8/h4H,1-3,6H2,(H,7,8).
What are the key properties of 6-amino-1,4-oxazepan-5-one?
6-amino-1,4-oxazepan-5-one has a molecular weight of 130.15 g/mol, XLogP of -1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,4-oxazepan-5-one is sourced from PubChem (CID 77385508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).